4-(2-ethoxyphenyl)-N-(4-ethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-ethoxyphenyl)-N-(4-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-ethoxyphenyl)-N-(4-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-ethoxyphenyl)-N-(4-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-ethoxyphenyl)-N-(4-ethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-ethylphenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC

InChI

InChI=1S/C21H27N3OS/c1-3-17-9-11-18(12-10-17)22-21(26)24-15-13-23(14-16-24)19-7-5-6-8-20(19)25-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,22,26)